1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine

C17H28N2O — CID 64877844

IUPAC1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine
SMILESCOCCCN1CC(c2ccccc2)NCC1C(C)C
InChIInChI=1S/C17H28N2O/c1-14(2)17-12-18-16(15-8-5-4-6-9-15)13-19(17)10-7-11-20-3/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3
InChIKeyLYAGUHNFAWBNLY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.69
Rot. Bonds6

About 1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine

1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine (PubChem CID 64877844) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine
PubChem CID64877844
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine
SMILESCOCCCN1CC(c2ccccc2)NCC1C(C)C
InChIInChI=1S/C17H28N2O/c1-14(2)17-12-18-16(15-8-5-4-6-9-15)13-19(17)10-7-11-20-3/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3
InChIKeyLYAGUHNFAWBNLY-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine (CID 64877844) is 1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine is COCCCN1CC(c2ccccc2)NCC1C(C)C.
What is the InChIKey of 1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine?
The InChIKey is LYAGUHNFAWBNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)17-12-18-16(15-8-5-4-6-9-15)13-19(17)10-7-11-20-3/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3.
What are the key properties of 1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine?
1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-5-phenyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64877844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).